3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one

C17H24N2O2S — CID 717199

IUPAC3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H24N2O2S/c20-16(8-7-14-4-1-2-5-14)18-9-11-19(12-10-18)17(21)15-6-3-13-22-15/h3,6,13-14H,1-2,4-5,7-12H2
InChIKeyVSAONHOVYZTBHI-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.00
Rot. Bonds4

About 3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 717199) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID717199
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H24N2O2S/c20-16(8-7-14-4-1-2-5-14)18-9-11-19(12-10-18)17(21)15-6-3-13-22-15/h3,6,13-14H,1-2,4-5,7-12H2
InChIKeyVSAONHOVYZTBHI-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one (CID 717199) is 3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is VSAONHOVYZTBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-16(8-7-14-4-1-2-5-14)18-9-11-19(12-10-18)17(21)15-6-3-13-22-15/h3,6,13-14H,1-2,4-5,7-12H2.
What are the key properties of 3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 320.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 717199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).